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| CAS No.: | 50418-68-3 |
|---|---|
| Name: | (S)-1,2-EPOXYOCTANE |
| Article Data: | 53 |
| Molecular Structure: | |
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| Formula: | C8H16O |
| Molecular Weight: | 128.214 |
| Synonyms: | Oxirane,hexyl-, (2S)- (9CI);Oxirane, hexyl-, (S)-;(-)-1,2-Epoxyoctane;(2S)-1,2-Epoxyoctane;(2S)-2-Hexyloxirane;(S)-1,2-Epoxyoctane;oxirane, 2-hexyl-, (2S)-; |
| Density: | 0.866 g/cm3 |
| Boiling Point: | 169.5 °C at 760 mmHg |
| Flash Point: | 37.2 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 10-36/37/38 |
| Safety: | 16-26-36 |
| PSA: | 12.53000 |
| LogP: | 2.35560 |
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Specification
The Oxirane, 2-hexyl-,(2S)-, with the CAS registry number 50418-68-3, has the systematic name of (2S)-2-hexyloxirane. It should be stored in the 2-8°C dry environment. And the molecular formula of the chemical is C8H16O.
The characteristics of Oxirane, 2-hexyl-,(2S)- are as followings: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 76.61; (6)ACD/BCF (pH 7.4): 76.61; (7)ACD/KOC (pH 5.5): 776.93; (8)ACD/KOC (pH 7.4): 776.93; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.53 Å2; (13)Index of Refraction: 1.436; (14)Molar Refractivity: 38.68 cm3; (15)Molar Volume: 147.8 cm3; (16)Polarizability: 15.33×10-24cm3; (17)Surface Tension: 30.6 dyne/cm; (18)Density: 0.866 g/cm3; (19)Flash Point: 37.2 °CEnthalpy of Vaporization: 38.93 kJ/mol; (20)Boiling Point: 169.5 °C at 760 mmHgVapour Pressure: 2.04 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is a kind of flammable chemical which irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O1[C@@H](CCCCCC)C1
(2)InChI: InChI=1/C8H16O/c1-2-3-4-5-6-8-7-9-8/h8H,2-7H2,1H3/t8-/m0/s1
(3)InChIKey: NJWSNNWLBMSXQR-QMMMGPOBBU